7UBP

The crystal structure of the K36A/K137A double mutant of E. coli YGGS in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	124.508, 124.508, 82.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.374 - 2.300
R-factor	0.1878
Rwork	0.185
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w8g
Data reduction software	CrysalisPro (41.64.69a)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.550	28.550	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.056	0.019	0.331
Rmeas	0.059	0.019	0.344
Rpim	0.016	0.005	0.096
Total number of observations	187743	3235	18149
Number of reflections	14772	286	1423
<I/σ(I)>	31	71.8	8.6
Completeness [%]	99.9	96.8	100
Redundancy	12.7	11.3	12.8
CC(1/2)	1.000	1.000	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	293	2M Ammonium sulfate, 0.1M CAPS/NaOH. pH 10.5, 0.2M Li2SO4