9VT7

The crystal structure of IDH1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	100.159, 108.552, 100.393
Unit cell angles	90.00, 95.26, 90.00

Refinement procedure

Resolution	49.870 - 2.080
R-factor	0.1841
Rwork	0.182
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.889
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.370	2.190
High resolution limit [Å]	2.080	2.080
Rmerge	0.137	0.889
Rmeas	0.149	0.965
Rpim	0.057	0.370
Total number of observations		62281
Number of reflections	64133	9314
<I/σ(I)>	10	2.5
Completeness [%]	99.9
Redundancy	6.7	6.7
CC(1/2)	0.995	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Li sulfate,o.1 M HEPES (pH 7.4), 20% PEG 6000