7T7J

Crystal Structure of Phosphoserine aminotransferase from Klebsiella pneumoniae subsp. pneumoniae in complex with Pyridoxal phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2021-11-24
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	55.210, 80.660, 86.820
Unit cell angles	90.00, 104.06, 90.00

Refinement procedure

Resolution	44.620 - 1.500
R-factor	0.129
Rwork	0.128
R-free	0.16020
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	0.936
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX (1.20 4438)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.032	0.016	0.443
Rmeas	0.033	0.017	0.470
Number of reflections	117524	1380	8375
<I/σ(I)>	53.85	204.54	4.66
Completeness [%]	99.6	99.4	96.4
Redundancy	16.407	28.478	8.359
CC(1/2)	1.000	0.999	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.7	287	Optimization condition around Anatrace/Calibre MCSG1 screen D9: 100mM Tris Base/HCl pH 8.7, 28% PEG 3350, 200mM NaCl: KlpnC.00980.a.B1.PW39015 at 27mg/ml + 3.5mM PLP: tray 323619 g9: cryo: 20% EG+ 2.5mM PLP in 2 steps, puck: bid6-5.