1F1W

SRC SH2 THREF1TRP MUTANT COMPLEXED WITH THE PHOSPHOPEPTIDE S(PTR)VNVQN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-06
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	33.714, 56.804, 102.779
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.100
R-factor	0.195
Rwork	0.195
R-free	0.25700
Starting model (for MR)	1sps
RMSD bond length	0.011
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall
Low resolution limit [Å]	12.000
High resolution limit [Å]	2.100
Rmerge	0.092
Number of reflections	5813
<I/σ(I)>	9.5
Completeness [%]	95.0
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	1:1.5 molar ratio of protein/peptide complex *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	sodium citrate	1.2 (M)