7SZP

Crystal Structure of Histidinol-phosphate aminotransferase from Klebsiella pneumoniae subsp. pneumoniae (strain HS11286)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-04
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	106.400, 111.610, 119.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.550 - 1.800
R-factor	0.1519
Rwork	0.151
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fg7A as per Morda
RMSD bond length	0.008
RMSD bond angle	0.910
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.20rc3-4406)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.050	0.023	0.420
Rmeas	0.055	0.025	0.463
Number of reflections	129492	1604	9122
<I/σ(I)>	23.28	58.06	3.64
Completeness [%]	98.3	97.6	94.7
Redundancy	6.178	5.546	5.687
CC(1/2)	0.999	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	287	Anatract/Microlytic MCSG1 screen, condition B6: 200mM Calcium acetate, 100mM MES / NaOH pH 6.0: 25% (w/V) PEG 8000: KlpnC.00674.a.B1.PW39002 at 33.5mg/ml: over night soak with 2.5mM PLP in DMSO: tra: 322257 b6: cryo: 20% EG + soak: puck: jql0-1.